Hi,
I have read an article entitled “Molecular Dynamics Simulations of Protein Folding” by Angel E. Garcia, it’s a Springer article. Inside the article, the author plotted 2 graphs: 1) < E > against T, 2) 𝜎 against T in order to ascertain whether the chosen temperature range and exchange probability work fine. I wish to do the same to my REMD simulations, how can I do it with AMBER?
If unable, is there other ways I can check if the temperature range and exchange probability that I chosen are working fine?
Thanks.
Regards
Yip Yew Mun
Graduate, PhD
Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 20 2013 - 00:00:03 PST
